tert-Butyl 4-Fluorobenzoate - CAS 58656-98-7
Catalog: |
BB030117 |
Product Name: |
tert-Butyl 4-Fluorobenzoate |
CAS: |
58656-98-7 |
Synonyms: |
4-fluorobenzoic acid tert-butyl ester; tert-butyl 4-fluorobenzoate |
IUPAC Name: | tert-butyl 4-fluorobenzoate |
Description: | tert-Butyl 4-Fluorobenzoate (CAS# 58656-98-7) is a useful research chemical. |
Molecular Weight: | 196.22 |
Molecular Formula: | C11H13FO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3 |
InChI Key: | ZZLARVGXLOCKHG-UHFFFAOYSA-N |
Boiling Point: | 51-52 °C / 0.4 mmHg |
Density: | 1.083 g/cm3 |
MDL: | MFCD01320759 |
LogP: | 2.78100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112326811-A | Method for predicting content of single crude oil in mixed crude oil | 20200928 |
EP-3875452-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
WO-2021175913-A1 | Monoacylglycerol lipase inhibitors | 20200304 |
US-2021196710-A1 | Compounds and methods for the targeted degradation of androgen receptor | 20191219 |
WO-2021127443-A1 | Compounds and methods for the targeted degradation of androgen receptor | 20191219 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.08995782 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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